REMARK  Name = BDB021000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110   0.490  -0.672  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.329   0.086  -0.101  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.447   0.942  -0.151  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.799   0.904   0.283  0.00  0.00    +0.106 A 
ATOM      5  N   LIG    1        4.445   2.048   0.029  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.533   2.793  -0.623  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        3.898   4.108  -1.093  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.306   2.191  -0.753  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.106   2.617  -1.339  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.016   1.739  -1.295  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.378   2.990   1.838  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.126   1.819   1.250  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.385   0.884   0.538  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.007   1.133   0.107  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.323  -0.123  -0.289  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.973  -1.332  -0.363  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.066  -2.295  -0.698  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -0.869  -1.775  -0.850  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -4.375  -1.512  -0.057  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.014  -0.425  -0.621  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1       -5.109  -0.182  -0.160  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -6.340   1.713   1.421  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -2.363  -3.813  -0.852  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -1.600  -4.601  -1.884  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.054  -4.299  -2.099  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   4  26
ATOM     26  C   LIG    1        4.444  -0.216   0.954  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        4.415  -1.557   0.653  0.00  0.00    +0.144 A 
ATOM     28  C   LIG    1        3.799  -2.385  -0.400  0.00  0.00    +0.090 C 
ATOM     29  O   LIG    1        5.173  -2.230   1.562  0.00  0.00    -0.359 OA
ATOM     30  N   LIG    1        5.729  -1.336   2.459  0.00  0.00    -0.083 NA
ATOM     31  C   LIG    1        5.301  -0.124   2.079  0.00  0.00    +0.090 A 
ATOM     32  C   LIG    1        5.730   1.081   2.827  0.00  0.00    +0.070 C 
ENDBRANCH   4  26
TORSDOF 3